{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=10218","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=10216","results":[{"id":"mp-1028042","created_at":"2022-09-04T14:40:11.428503Z","structure_string":"Na1 Y1 Mg14\n1.0\n6.564149 0.016718 0.000000\n-3.267596 5.659641 0.000000\n0.000000 0.000000 10.417714\nNa Y Mg\n1 1 14\ndirect\n0.169952 0.834976 0.125000 Na\n0.166697 0.333348 0.125000 Y\n0.166241 0.333120 0.625000 Mg\n0.166850 0.833425 0.625000 Mg\n0.660874 0.324540 0.125000 Mg\n0.667026 0.333688 0.625000 Mg\n0.660874 0.836333 0.125000 Mg\n0.667026 0.833337 0.625000 Mg\n0.336716 0.169710 0.381921 Mg\n0.336716 0.169710 0.868079 Mg\n0.336716 0.667007 0.381921 Mg\n0.336716 0.667007 0.868079 Mg\n0.832867 0.166434 0.378018 Mg\n0.832867 0.166434 0.871982 Mg\n0.830931 0.665466 0.375623 Mg\n0.830931 0.665466 0.874377 Mg\n","nsites":16,"nelements":3,"elements":["Na","Y","Mg"],"chemical_system":"Mg-Na-Y","density":1.9371745628882726,"density_atomic":0.041280229724718134,"volume":387.59474224581123,"volume_molar":14.588438097751212,"formula_full":"Na1 Y1 Mg14","formula_reduced":"NaYMg14","formula_anonymous":"ABC14","energy":-29.60270387,"energy_per_atom":-1.850168991875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.60270387,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.869000Z","spacegroup":38},{"id":"mp-1194083","created_at":"2022-09-04T14:40:54.854430Z","structure_string":"Hf8 Fe8 Ge14\n1.0\n0.000000 0.000000 5.145931\n-6.680283 6.680283 2.572966\n-6.680283 -6.680283 2.572966\nHf Fe Ge\n8 8 14\ndirect\n0.139635 0.000000 0.720730 Hf\n0.860365 0.000000 0.279270 Hf\n0.860365 0.279270 0.000000 Hf\n0.139635 0.720730 0.000000 Hf\n0.500000 0.194921 0.805079 Hf\n0.500000 0.805079 0.194921 Hf\n0.305079 0.194921 0.194921 Hf\n0.694921 0.805079 0.805079 Hf\n0.398795 0.500000 0.202410 Fe\n0.101205 0.500000 0.797590 Fe\n0.101205 0.797590 0.500000 Fe\n0.398795 0.202410 0.500000 Fe\n0.601205 0.797590 0.500000 Fe\n0.898795 0.202410 0.500000 Fe\n0.898795 0.500000 0.202410 Fe\n0.601205 0.500000 0.797590 Fe\n0.293795 0.000000 0.412410 Ge\n0.706205 0.000000 0.587590 Ge\n0.706205 0.587590 0.000000 Ge\n0.293795 0.412410 0.000000 Ge\n0.000000 0.290316 0.709684 Ge\n0.000000 0.709684 0.290316 Ge\n0.709684 0.290316 0.290316 Ge\n0.290316 0.709684 0.709684 Ge\n0.500000 0.406274 0.593726 Ge\n0.500000 0.593726 0.406274 Ge\n0.093726 0.406274 0.406274 Ge\n0.906274 0.593726 0.593726 Ge\n0.751250 0.000000 0.000000 Ge\n0.248750 0.000000 0.000000 Ge\n","nsites":30,"nelements":3,"elements":["Hf","Fe","Ge"],"chemical_system":"Fe-Ge-Hf","density":10.454653529042007,"density_atomic":0.06531870686255462,"volume":459.28649602826357,"volume_molar":9.219626427497946,"formula_full":"Hf8 Fe8 Ge14","formula_reduced":"Hf4Fe4Ge7","formula_anonymous":"A4B4C7","energy":-226.86371946,"energy_per_atom":-7.562123982,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-226.86371946,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.4205285,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.868000Z","spacegroup":139},{"id":"mp-18556","created_at":"2022-09-04T14:40:07.240771Z","structure_string":"Rb8 Cd12 S16\n1.0\n6.724729 0.000000 0.000000\n0.000000 10.761839 0.000000\n0.000000 0.000000 14.466816\nRb Cd S\n8 12 16\ndirect\n0.021478 0.750000 0.465684 Rb\n0.521478 0.250000 0.034316 Rb\n0.978522 0.250000 0.534316 Rb\n0.478522 0.750000 0.965684 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.322525 0.906057 0.252947 Cd\n0.822525 0.093943 0.247053 Cd\n0.677475 0.406057 0.747053 Cd\n0.177475 0.593943 0.752947 Cd\n0.677475 0.093943 0.747053 Cd\n0.177475 0.906057 0.752947 Cd\n0.322525 0.593943 0.252947 Cd\n0.822525 0.406057 0.247053 Cd\n0.740517 0.750000 0.707284 Cd\n0.240517 0.250000 0.792716 Cd\n0.259483 0.250000 0.292716 Cd\n0.759483 0.750000 0.207284 Cd\n0.608052 0.962041 0.141363 S\n0.108052 0.037959 0.358637 S\n0.391948 0.462041 0.858637 S\n0.891948 0.537959 0.641363 S\n0.391948 0.037959 0.858637 S\n0.891948 0.962041 0.641363 S\n0.608052 0.537959 0.141363 S\n0.108052 0.462041 0.358637 S\n0.956020 0.750000 0.855950 S\n0.456020 0.250000 0.644050 S\n0.043980 0.250000 0.144050 S\n0.543980 0.750000 0.355950 S\n0.883472 0.250000 0.846059 S\n0.616528 0.250000 0.346059 S\n0.116528 0.750000 0.153941 S\n0.383472 0.750000 0.653941 S\n","nsites":36,"nelements":3,"elements":["Rb","Cd","S"],"chemical_system":"Cd-Rb-S","density":4.03761161309216,"density_atomic":0.03438493953444105,"volume":1046.9699958012504,"volume_molar":17.51389079503261,"formula_full":"Rb8 Cd12 S16","formula_reduced":"Rb2Cd3S4","formula_anonymous":"A2B3C4","energy":-123.35745988,"energy_per_atom":-3.426596107777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.30945988,"band_gap":1.8819,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002439,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.866000Z","spacegroup":62},{"id":"mp-31514","created_at":"2022-09-04T14:40:34.581778Z","structure_string":"Ba3 Nb2 Co1 O9\n1.0\n-2.938664 -5.080944 -0.000714\n-2.923347 5.072148 -0.004930\n-0.006978 0.002960 -7.191103\nBa Nb Co O\n3 2 1 9\ndirect\n0.000000 0.000000 0.000000 Ba\n0.332416 0.665827 0.665023 Ba\n0.667584 0.334173 0.334977 Ba\n0.333397 0.666820 0.177818 Nb\n0.666603 0.333180 0.822182 Nb\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.170788 0.827953 0.325235 O\n0.170649 0.341929 0.326223 O\n0.656580 0.827869 0.325028 O\n0.829212 0.172047 0.674765 O\n0.829352 0.658071 0.673777 O\n0.343420 0.172131 0.674972 O\n","nsites":15,"nelements":4,"elements":["Ba","Nb","Co","O"],"chemical_system":"Ba-Co-Nb-O","density":6.213289887592736,"density_atomic":0.07009422825897071,"volume":213.99764820265764,"volume_molar":8.59149306523577,"formula_full":"Ba3 Nb2 Co1 O9","formula_reduced":"Ba3Nb2CoO9","formula_anonymous":"AB2C3D9","energy":-122.92023703,"energy_per_atom":-8.194682468666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.09923703,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9998953,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.865000Z","spacegroup":164},{"id":"mp-12055","created_at":"2022-09-04T14:40:01.782139Z","structure_string":"La1 Cd2\n1.0\n2.576757 -4.463073 0.000000\n2.576757 4.463073 0.000000\n0.000000 0.000000 3.555149\nLa Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n","nsites":3,"nelements":2,"elements":["La","Cd"],"chemical_system":"Cd-La","density":7.386350998958096,"density_atomic":0.03668816553822358,"volume":81.7702372410648,"volume_molar":16.414395954809542,"formula_full":"La1 Cd2","formula_reduced":"LaCd2","formula_anonymous":"AB2","energy":-7.87751297,"energy_per_atom":-2.6258376566666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.87751297,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2290791,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.862000Z","spacegroup":191},{"id":"mp-1037955","created_at":"2022-09-04T14:40:32.894570Z","structure_string":"Mg30 Al1 B1 O32\n1.0\n8.508406 0.000000 0.000000\n0.000000 8.508406 0.000000\n0.000000 0.000000 8.524085\nMg Al B O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.248058 0.253450 Mg\n0.000000 0.248058 0.746550 Mg\n0.000000 0.751942 0.253450 Mg\n0.000000 0.751942 0.746550 Mg\n0.500000 0.249585 0.251249 Mg\n0.500000 0.249585 0.748751 Mg\n0.500000 0.750415 0.251249 Mg\n0.500000 0.750415 0.748751 Mg\n0.248058 0.000000 0.253450 Mg\n0.248058 0.000000 0.746550 Mg\n0.249585 0.500000 0.251249 Mg\n0.249585 0.500000 0.748751 Mg\n0.751942 0.000000 0.253450 Mg\n0.751942 0.000000 0.746550 Mg\n0.750415 0.500000 0.251249 Mg\n0.750415 0.500000 0.748751 Mg\n0.249966 0.249966 0.000000 Mg\n0.248082 0.248082 0.500000 Mg\n0.249966 0.750034 0.000000 Mg\n0.248082 0.751918 0.500000 Mg\n0.750034 0.249966 0.000000 Mg\n0.751918 0.248082 0.500000 Mg\n0.750034 0.750034 0.000000 Mg\n0.751918 0.751918 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 B\n0.238153 0.000000 0.000000 O\n0.262253 0.000000 0.500000 O\n0.248320 0.500000 0.000000 O\n0.251543 0.500000 0.500000 O\n0.761847 0.000000 0.000000 O\n0.737747 0.000000 0.500000 O\n0.751680 0.500000 0.000000 O\n0.748457 0.500000 0.500000 O\n0.249146 0.249146 0.249832 O\n0.249146 0.249146 0.750168 O\n0.249146 0.750854 0.249832 O\n0.249146 0.750854 0.750168 O\n0.750854 0.249146 0.249832 O\n0.750854 0.249146 0.750168 O\n0.750854 0.750854 0.249832 O\n0.750854 0.750854 0.750168 O\n0.000000 0.000000 0.219714 O\n0.000000 0.000000 0.780286 O\n0.000000 0.500000 0.245243 O\n0.000000 0.500000 0.754757 O\n0.500000 0.000000 0.245243 O\n0.500000 0.000000 0.754757 O\n0.500000 0.500000 0.248452 O\n0.500000 0.500000 0.751548 O\n0.000000 0.238153 0.000000 O\n0.000000 0.262253 0.500000 O\n0.000000 0.761847 0.000000 O\n0.000000 0.737747 0.500000 O\n0.500000 0.248320 0.000000 O\n0.500000 0.251543 0.500000 O\n0.500000 0.751680 0.000000 O\n0.500000 0.748457 0.500000 O\n","nsites":64,"nelements":4,"elements":["Mg","Al","B","O"],"chemical_system":"Al-B-Mg-O","density":3.4415131084653954,"density_atomic":0.10371361972097976,"volume":617.0838523636422,"volume_molar":5.806509093213925,"formula_full":"Mg30 Al1 B1 O32","formula_reduced":"Mg30AlBO32","formula_anonymous":"ABC30D32","energy":-404.50358432,"energy_per_atom":-6.320368505,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-382.51958432,"band_gap":2.4708,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005601,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.860000Z","spacegroup":123},{"id":"mp-2080","created_at":"2022-09-04T14:40:16.232095Z","structure_string":"Sr2 Be26\n1.0\n0.000000 5.195941 5.195941\n5.195941 0.000000 5.195941\n5.195941 5.195941 0.000000\nSr Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.565240 0.786100 0.434760 Be\n0.286100 0.065240 0.934760 Be\n0.065240 0.286100 0.713900 Be\n0.713900 0.065240 0.286100 Be\n0.286100 0.934760 0.713900 Be\n0.065240 0.934760 0.286100 Be\n0.713900 0.286100 0.934760 Be\n0.434760 0.565240 0.786100 Be\n0.786100 0.434760 0.565240 Be\n0.565240 0.213900 0.786100 Be\n0.565240 0.434760 0.213900 Be\n0.786100 0.213900 0.434760 Be\n0.213900 0.565240 0.434760 Be\n0.213900 0.786100 0.565240 Be\n0.434760 0.786100 0.213900 Be\n0.934760 0.286100 0.065240 Be\n0.934760 0.713900 0.286100 Be\n0.286100 0.713900 0.065240 Be\n0.934760 0.065240 0.713900 Be\n0.713900 0.934760 0.065240 Be\n0.065240 0.713900 0.934760 Be\n0.786100 0.565240 0.213900 Be\n0.434760 0.213900 0.565240 Be\n0.213900 0.434760 0.786100 Be\n","nsites":28,"nelements":2,"elements":["Sr","Be"],"chemical_system":"Be-Sr","density":2.424044218076195,"density_atomic":0.09980111713885442,"volume":280.5579817412593,"volume_molar":6.034141633526334,"formula_full":"Sr2 Be26","formula_reduced":"SrBe13","formula_anonymous":"AB13","energy":-102.02459509,"energy_per_atom":-3.6437355389285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.02459509,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.858000Z","spacegroup":226},{"id":"mp-1201672","created_at":"2022-09-04T14:41:02.236293Z","structure_string":"Na4 Zn8 B20 H80\n1.0\n16.754113 0.000000 0.000000\n0.000000 9.150922 0.000000\n0.000000 3.300282 8.694480\nNa Zn B H\n4 8 20 80\ndirect\n0.935391 0.329154 0.305451 Na\n0.435391 0.170846 0.694549 Na\n0.064609 0.670846 0.694549 Na\n0.564609 0.829154 0.305451 Na\n0.271635 0.875431 0.295173 Zn\n0.771635 0.624569 0.704827 Zn\n0.728365 0.124569 0.704827 Zn\n0.228365 0.375431 0.295173 Zn\n0.126758 0.109009 0.865437 Zn\n0.626758 0.390991 0.134563 Zn\n0.873242 0.890991 0.134563 Zn\n0.373242 0.609009 0.865437 Zn\n0.816740 0.222883 0.522611 B\n0.316740 0.277117 0.477389 B\n0.183260 0.777117 0.477389 B\n0.683260 0.722883 0.522611 B\n0.599096 0.146519 0.705192 B\n0.099096 0.353481 0.294808 B\n0.400904 0.853481 0.294808 B\n0.900904 0.646519 0.705192 B\n0.209636 0.023456 0.072895 B\n0.709636 0.476544 0.927105 B\n0.790364 0.976544 0.927105 B\n0.290364 0.523456 0.072895 B\n0.088222 0.914499 0.796024 B\n0.588222 0.585501 0.203976 B\n0.911778 0.085501 0.203976 B\n0.411778 0.414499 0.796024 B\n0.396522 0.860535 0.775131 B\n0.896522 0.639465 0.224869 B\n0.603478 0.139465 0.224869 B\n0.103478 0.360535 0.775131 B\n0.791604 0.084146 0.563498 H\n0.291604 0.415854 0.436502 H\n0.208396 0.915854 0.436502 H\n0.708396 0.584146 0.563498 H\n0.798578 0.282656 0.388572 H\n0.298578 0.217344 0.611428 H\n0.201422 0.717344 0.611428 H\n0.701422 0.782656 0.388572 H\n0.785039 0.304168 0.590985 H\n0.285039 0.195832 0.409015 H\n0.214961 0.695832 0.409015 H\n0.714961 0.804168 0.590985 H\n0.886849 0.211866 0.557644 H\n0.386849 0.288134 0.442356 H\n0.113151 0.788134 0.442356 H\n0.613151 0.711866 0.557644 H\n0.560196 0.077510 0.819100 H\n0.060196 0.422490 0.180900 H\n0.439804 0.922490 0.180900 H\n0.939804 0.577510 0.819100 H\n0.644477 0.236079 0.743289 H\n0.144477 0.263921 0.256711 H\n0.355523 0.763921 0.256711 H\n0.855523 0.736079 0.743289 H\n0.633926 0.042096 0.669325 H\n0.133926 0.457904 0.330675 H\n0.366074 0.957904 0.330675 H\n0.866074 0.542096 0.669325 H\n0.565183 0.227997 0.589761 H\n0.065183 0.272003 0.410239 H\n0.434817 0.772003 0.410239 H\n0.934817 0.727997 0.589761 H\n0.239197 0.068295 0.943702 H\n0.739197 0.431705 0.056298 H\n0.760803 0.931705 0.056298 H\n0.260803 0.568295 0.943702 H\n0.138385 0.051634 0.086294 H\n0.638385 0.448366 0.913706 H\n0.861615 0.948366 0.913706 H\n0.361615 0.551634 0.086294 H\n0.215142 0.879035 0.119989 H\n0.715142 0.620965 0.880011 H\n0.784858 0.120965 0.880011 H\n0.284858 0.379035 0.119989 H\n0.246278 0.093375 0.143085 H\n0.746278 0.406625 0.856915 H\n0.753722 0.906625 0.856915 H\n0.253722 0.593375 0.143085 H\n0.146621 0.003718 0.738038 H\n0.646621 0.496282 0.261962 H\n0.853379 0.996282 0.261962 H\n0.353379 0.503718 0.738038 H\n0.117141 0.786209 0.861811 H\n0.617141 0.713791 0.138189 H\n0.882859 0.213791 0.138189 H\n0.382859 0.286209 0.861811 H\n0.047925 0.947768 0.893986 H\n0.547925 0.552232 0.106014 H\n0.952075 0.052232 0.106014 H\n0.452075 0.447768 0.893986 H\n0.045052 0.929972 0.687678 H\n0.545052 0.570028 0.312322 H\n0.954948 0.070028 0.312322 H\n0.454948 0.429972 0.687678 H\n0.430535 0.926425 0.654889 H\n0.930535 0.573575 0.345111 H\n0.569465 0.073575 0.345111 H\n0.069465 0.426425 0.654889 H\n0.334545 0.803480 0.740523 H\n0.834545 0.696520 0.259477 H\n0.665455 0.196520 0.259477 H\n0.165455 0.303480 0.740523 H\n0.445763 0.762157 0.857892 H\n0.945763 0.737843 0.142108 H\n0.554237 0.237843 0.142108 H\n0.054237 0.262157 0.857892 H\n0.374687 0.937017 0.851299 H\n0.874687 0.562983 0.148701 H\n0.625313 0.062983 0.148701 H\n0.125313 0.437017 0.851299 H\n","nsites":112,"nelements":4,"elements":["Na","Zn","B","H"],"chemical_system":"B-H-Na-Zn","density":1.136200856688692,"density_atomic":0.08402105222251237,"volume":1332.9992547985614,"volume_molar":7.167418879796466,"formula_full":"Na4 Zn8 B20 H80","formula_reduced":"NaZn2(BH4)5","formula_anonymous":"AB2C5D20","energy":-447.46740658,"energy_per_atom":-3.9952447016071426,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-433.14740658,"band_gap":6.1595,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0030799,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.858000Z","spacegroup":14},{"id":"mp-1219115","created_at":"2022-09-04T14:40:30.817537Z","structure_string":"Sm1 Al1 Cu4\n1.0\n2.636558 -4.566652 0.000000\n2.636558 4.566652 0.000000\n0.000000 0.000000 3.995925\nSm Al Cu\n1 1 4\ndirect\n0.666667 0.333333 0.000000 Sm\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.000000 Cu\n0.664175 0.832088 0.500000 Cu\n0.167912 0.832088 0.500000 Cu\n0.167912 0.335825 0.500000 Cu\n","nsites":6,"nelements":3,"elements":["Sm","Al","Cu"],"chemical_system":"Al-Cu-Sm","density":7.446857262865123,"density_atomic":0.062354626079736616,"volume":96.22381493118792,"volume_molar":9.65788929966339,"formula_full":"Sm1 Al1 Cu4","formula_reduced":"SmAlCu4","formula_anonymous":"ABC4","energy":-26.27669295,"energy_per_atom":-4.379448825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.27669295,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013571,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.857000Z","spacegroup":187},{"id":"mp-2903","created_at":"2022-09-04T14:40:32.896891Z","structure_string":"U1 Al3 Ni2\n1.0\n2.573615 -4.457632 0.000000\n2.573615 4.457632 0.000000\n0.000000 0.000000 4.031899\nU Al Ni\n1 3 2\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n","nsites":6,"nelements":3,"elements":["U","Al","Ni"],"chemical_system":"Al-Ni-U","density":7.832617582421956,"density_atomic":0.06485803978226368,"volume":92.50973387636644,"volume_molar":9.285110651226985,"formula_full":"U1 Al3 Ni2","formula_reduced":"UAl3Ni2","formula_anonymous":"AB2C3","energy":-36.52297192,"energy_per_atom":-6.0871619866666675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.52297192,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0881673,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.856000Z","spacegroup":191},{"id":"mp-756041","created_at":"2022-09-04T14:40:32.398023Z","structure_string":"Cr4 O12\n1.0\n4.569787 0.000000 0.000000\n0.000000 5.851619 0.000000\n0.000000 0.000000 9.571464\nCr O\n4 12\ndirect\n0.962259 0.040436 0.250000 Cr\n0.462259 0.459564 0.750000 Cr\n0.537741 0.540436 0.250000 Cr\n0.037741 0.959564 0.750000 Cr\n0.168824 0.055736 0.116407 O\n0.168824 0.055736 0.383593 O\n0.718481 0.271692 0.250000 O\n0.218481 0.228308 0.750000 O\n0.668824 0.444264 0.616407 O\n0.668824 0.444264 0.883593 O\n0.331176 0.555736 0.116407 O\n0.331176 0.555736 0.383593 O\n0.781519 0.771692 0.250000 O\n0.281519 0.728308 0.750000 O\n0.831176 0.944264 0.883593 O\n0.831176 0.944264 0.616407 O\n","nsites":16,"nelements":2,"elements":["Cr","O"],"chemical_system":"Cr-O","density":2.594979694244802,"density_atomic":0.06251289520896464,"volume":255.94719211957928,"volume_molar":9.633437612942933,"formula_full":"Cr4 O12","formula_reduced":"CrO3","formula_anonymous":"AB3","energy":-121.32889444,"energy_per_atom":-7.5830559025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.08889444,"band_gap":1.2356,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010059,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.856000Z","spacegroup":62},{"id":"mp-1215481","created_at":"2022-09-04T14:40:25.610425Z","structure_string":"Yb1 Sm1 B12\n1.0\n0.000000 4.118718 4.118718\n4.118718 0.000000 4.118718\n4.118718 4.118718 0.000000\nYb Sm B\n1 1 12\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Sm\n0.899971 0.600029 0.600029 B\n0.399971 0.100029 0.100029 B\n0.899971 0.899971 0.600029 B\n0.399971 0.399971 0.100029 B\n0.600029 0.899971 0.600029 B\n0.100029 0.399971 0.100029 B\n0.600029 0.600029 0.899971 B\n0.100029 0.100029 0.399971 B\n0.899971 0.600029 0.899971 B\n0.399971 0.100029 0.399971 B\n0.600029 0.899971 0.899971 B\n0.100029 0.399971 0.399971 B\n","nsites":14,"nelements":3,"elements":["Yb","Sm","B"],"chemical_system":"B-Sm-Yb","density":5.384652255963033,"density_atomic":0.10018711407795937,"volume":139.73852953889931,"volume_molar":6.010893531990496,"formula_full":"Yb1 Sm1 B12","formula_reduced":"YbSmB12","formula_anonymous":"ABC12","energy":-92.96647389,"energy_per_atom":-6.640462420714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.96647389,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002442,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.855000Z","spacegroup":225}]}